UCSF

ZINC34823644

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.03 10.19 -42.67 2 4 1 38 287.431 7
Hi High (pH 8-9.5) 3.03 8.74 -6.46 1 4 0 33 286.423 7
Lo Low (pH 4.5-6) 3.03 10.21 -94.6 3 4 2 39 288.439 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )